Butyl pyrrolidine-1-carboxylate

Base Information

• Chemical Name: Butyl pyrrolidine-1-carboxylate
• CAS No.: 7251-07-2
• Molecular Formula: C9H17NO2
• Molecular Weight: 171.2368
• NSC Number: 30496
• DSSTox Substance ID: DTXSID40283219
• Nikkaji Number: J1.251.720C
• Wikidata: Q82017713
• Mol file: 7251-07-2.mol

Synonyms:7251-07-2;butyl pyrrolidine-1-carboxylate;NSC30496;SCHEMBL1859157;DTXSID40283219;NSC-30496

Chemical Property of Butyl pyrrolidine-1-carboxylate

Chemical Property:

• Vapor Pressure: 0.0497mmHg at 25°C
• Boiling Point: 235.5°C at 760 mmHg
• Flash Point: 96.3°C
• Density: 1.025g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 171.125928785
• Heavy Atom Count: 12
• Complexity: 142

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCOC(=O)N1CCCC1

Technology Process of Butyl pyrrolidine-1-carboxylate

There total 3 articles about Butyl pyrrolidine-1-carboxylate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 85.0%

pyrrolidine (123-75-1) + n-Butyl chloride (109-69-3) + carbon dioxide (124-38-9,18923-20-1) → n-Butoxycarbonyl-1-pyrrolidine (7251-07-2)

Guidance literature:

With tetrabutylammomium bromide; potassium carbonate; at 100 ℃; for 2h; under 60800 Torr;

DOI:10.1039/a908819i

Reference yield: 83.0%

pyrrolidine (123-75-1) + n-Butyl chloride (109-69-3) → n-Butoxycarbonyl-1-pyrrolidine (7251-07-2)

Guidance literature:

With potassium carbonate; tetra(n-butyl)ammonium hydrogensulfate; In n-heptane; for 5h; Heating;

DOI:10.1055/s-1985-31178

Reference yield:

ethyl pyrrolidine-1-carboxylate (5470-26-8) + butan-1-ol (71-36-3) → n-Butoxycarbonyl-1-pyrrolidine (7251-07-2)

Guidance literature:

With sodium; for 25h; Heating;

upstream raw materials:

pyrrolidine

n-Butyl chloride

ethyl pyrrolidine-1-carboxylate

butan-1-ol

Refernces

• 1、 Gomez-Parra, Vicente,Sanchez, Felix,Torres, Tomas. "Carbamates from Secondary Amines and Alkyl Chlorides under Phase-Transfer Conditions". . p. 282 - 285. Retrieved 2007/10/02.